SCHEMBL1999245

SCHEMBL1999245

CC(C)n1c(-c2ccncc2)c(-c2ccc(F)cc2)c2nccnc21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.53
MAPK13 O15264 2/20 0.50
MAPK12 P53778 2/20 0.50
MAPK11 Q15759 2/20 0.50
RIPK3 Q9Y572 2/20 0.44
MAPK10 P53779 2/20 0.41
MAPK9 P45984 1/20 0.41
CSNK1D P48730 1/20 0.41
CSNK1E P49674 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1994450 0.82 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11RIPK3
SCHEMBL1994116 0.79 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11RIPK3
SCHEMBL1997890 0.74 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11RIPK3
SCHEMBL1995963 0.72 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11RIPK3
SCHEMBL1995055 0.72 RIPK3 (0.58) MAPK14MAPK13MAPK12MAPK11RIPK3
SCHEMBL1996441 0.70 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11RIPK3
SCHEMBL6640633 0.69 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11RIPK3
SCHEMBL2001207 0.69 QPCT (0.48) MAPK14MAPK13MAPK12MAPK11RIPK3
SCHEMBL1998934 0.69 MAPK14 (0.48) MAPK14RIPK3
SCHEMBL6168483 0.68 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11MAPK10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2338890-A1 4,7-Diazaindole derivatives and their use as fungicides Bayer CropScience AG (DE) 2011-06-29 EP disclosed